tert-butyl 2-[[methyl-[2-(2-methylpropylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoate

Systemtic Name: tert-butyl 2-[[methyl-[2-(2-methylpropylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoate Openeye Name: tert-butyl 2-[[[2-(isobutylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-phenylsulfanyl-propanoate CAS Name: 2-[[methyl-[2-[[(2-methylpropylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-3-(phenylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[methyl-[2-(2-methylpropylcarbamoylamino)-3-phenylpropanoyl]amino]methyl]-3-phenylsulfanylpropanoate Traditional Name: 2-[[[2-(isobutylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-(phenylthio)propionic acid tert-butyl ester Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC(CSC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC(CSC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N3O4S/c1-21(2)18-30-28(35)31-25(17-22-13-9-7-10-14-22)26(33)32(6)19-23(27(34)36-29(3,4)5)20-37-24-15-11-8-12-16-24/h7-16,21,23,25H,17-20H2,1-6H3,(H2,30,31,35)